N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide

C18H28N4O4S — CID 91906222

IUPACN-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(N(C(=O)C3CC3)C3CCOCC3)CC2)c1
InChIInChI=1S/C18H28N4O4S/c1-20-12-17(19-13-20)27(24,25)21-8-4-15(5-9-21)22(18(23)14-2-3-14)16-6-10-26-11-7-16/h12-16H,2-11H2,1H3
InChIKeyNKKQXVBUJATSKO-UHFFFAOYSA-N
MW396.51 g/mol
LogP0.99
Rot. Bonds5

About N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide

N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide (PubChem CID 91906222) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide
PubChem CID91906222
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC NameN-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(N(C(=O)C3CC3)C3CCOCC3)CC2)c1
InChIInChI=1S/C18H28N4O4S/c1-20-12-17(19-13-20)27(24,25)21-8-4-15(5-9-21)22(18(23)14-2-3-14)16-6-10-26-11-7-16/h12-16H,2-11H2,1H3
InChIKeyNKKQXVBUJATSKO-UHFFFAOYSA-N
XLogP0.99
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide (CID 91906222) is N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide is Cn1cnc(S(=O)(=O)N2CCC(N(C(=O)C3CC3)C3CCOCC3)CC2)c1.
What is the InChIKey of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide?
The InChIKey is NKKQXVBUJATSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-20-12-17(19-13-20)27(24,25)21-8-4-15(5-9-21)22(18(23)14-2-3-14)16-6-10-26-11-7-16/h12-16H,2-11H2,1H3.
What are the key properties of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide?
N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide has a molecular weight of 396.51 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 91906222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).